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Sérgio Filipe Maia de Sousa

AuthID: R-000-NGA

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Confirmed Publications: 152

141

TITLE: Analysis of zinc-ligand bond lengths in metalloproteins: Trends and patterns Full Text
AUTHORS: Bruno Tamames; Sérgio F. Sousa ; Juan Tamames; Pedro Alexandrino Fernandes ; Maria Joao Ramos ;
PUBLISHED: 2007, SOURCE: PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, VOLUME: 69, ISSUE: 3

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142

TITLE: Comparative assessment of theoretical methods for the determination of geometrical properties in biological zinc complexes
AUTHORS: Sérgio F. Sousa ; Pedro Alexandrino Fernandes ; Maria Joao Ramos ;
PUBLISHED: 2007, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 111, ISSUE: 30

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143

TITLE: Effective tailor-made force field parameterization of the several Zn coordination environments in the puzzling FTase enzyme: opening the door to the full understanding of its elusive catalytic mechanism Full Text
AUTHORS: Sérgio F. Sousa ; Pedro Alexandrino Fernandes ; Maria Joao Ramos ;
PUBLISHED: 2007, SOURCE: THEORETICAL CHEMISTRY ACCOUNTS, VOLUME: 117, ISSUE: 1

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144

TITLE: General performance of density functionals
AUTHORS: Sérgio F. Sousa ; Pedro Alexandrino Fernandes ; Maria Joao Ramos ;
PUBLISHED: 2007, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 111, ISSUE: 42

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145

TITLE: The carboxylate shift in zinc enzymes: A computational study Full Text
AUTHORS: Sérgio F. Sousa ; Pedro A Fernandes ; Maria Joao Ramos ;
PUBLISHED: 2007, SOURCE: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, VOLUME: 129, ISSUE: 5

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146

TITLE: Theoretical studies on farnesyltransferase: Evidence for thioether product coordination to the active-site zinc sphere Full Text
AUTHORS: Sérgio F. Sousa ; Pedro Alexandrino Fernandes ; Maria Joao Ramos ;
PUBLISHED: 2007, SOURCE: JOURNAL OF COMPUTATIONAL CHEMISTRY, VOLUME: 28, ISSUE: 7

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147

TITLE: Theoretical studies on farnesyltransferase: The distances paradox explained Full Text
AUTHORS: Sérgio F. Sousa ; Pedro Alexandrino Fernandes ; Maria Joao Ramos ;
PUBLISHED: 2007, SOURCE: PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, VOLUME: 66, ISSUE: 1

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148

TITLE: Protein-ligand docking: Current status and future challenges Full Text
AUTHORS: Sérgio F. Sousa ; Pedro Alexandrino Fernandes ; Maria Joao Ramos ;
PUBLISHED: 2006, SOURCE: PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, VOLUME: 65, ISSUE: 1

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149

TITLE: Farnesyltransferase - New insights into the zinc-coordination sphere paradigm: Evidence for a carboxylate-shift mechanism
AUTHORS: Sérgio F. Sousa ; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2005, SOURCE: BIOPHYSICAL JOURNAL, VOLUME: 88, ISSUE: 1

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150

TITLE: Farnesyltransferase: Theoretical studies on peptide substrate entrance thiol or thiolate coordination? Full Text
AUTHORS: Sérgio F. Sousa ; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2005, SOURCE: 30th International Congress of Theoretical Chemists of Latin Expression in JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 729, ISSUE: 1-2

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